acetonitrile;bis(1H-indazole);trichlororuthenium

C16H15Cl3N5Ru — CID 140944860

IUPACacetonitrile;bis(1H-indazole);trichlororuthenium
SMILESCC#N.Cl[Ru](Cl)Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2.C2H3N.3ClH.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;1-2-3;;;;/h2*1-5H,(H,8,9);1H3;3*1H;/q;;;;;;+3/p-3
InChIKeyQLBXVOCVIVEEPV-UHFFFAOYSA-K
MW484.76 g/mol
LogP5.72
Rot. Bonds

About acetonitrile;bis(1H-indazole);trichlororuthenium

acetonitrile;bis(1H-indazole);trichlororuthenium (PubChem CID 140944860) has the molecular formula C16H15Cl3N5Ru and a molecular weight of 484.76 g/mol. Its IUPAC name is acetonitrile;bis(1H-indazole);trichlororuthenium.

Molecular Properties

Compound Nameacetonitrile;bis(1H-indazole);trichlororuthenium
PubChem CID140944860
Molecular FormulaC16H15Cl3N5Ru
Molecular Weight484.76 g/mol
Exact Mass483.94
IUPAC Nameacetonitrile;bis(1H-indazole);trichlororuthenium
SMILESCC#N.Cl[Ru](Cl)Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2.C2H3N.3ClH.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;1-2-3;;;;/h2*1-5H,(H,8,9);1H3;3*1H;/q;;;;;;+3/p-3
InChIKeyQLBXVOCVIVEEPV-UHFFFAOYSA-K
XLogP5.72
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.76
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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sodium;bis(1H-indazole);tetrachlororuthenium(1-)
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sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
carbonyl dichloride;1H-indazole
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1H-indazole;methyl formate
CID 174916926
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CID 67829354
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Frequently Asked Questions

What is the IUPAC name of acetonitrile;bis(1H-indazole);trichlororuthenium?
The IUPAC name of acetonitrile;bis(1H-indazole);trichlororuthenium (CID 140944860) is acetonitrile;bis(1H-indazole);trichlororuthenium.
What is the SMILES notation for acetonitrile;bis(1H-indazole);trichlororuthenium?
The canonical SMILES for acetonitrile;bis(1H-indazole);trichlororuthenium is CC#N.Cl[Ru](Cl)Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of acetonitrile;bis(1H-indazole);trichlororuthenium?
The InChIKey is QLBXVOCVIVEEPV-UHFFFAOYSA-K. The full InChI is InChI=1S/2C7H6N2.C2H3N.3ClH.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;1-2-3;;;;/h2*1-5H,(H,8,9);1H3;3*1H;/q;;;;;;+3/p-3.
What are the key properties of acetonitrile;bis(1H-indazole);trichlororuthenium?
acetonitrile;bis(1H-indazole);trichlororuthenium has a molecular weight of 484.76 g/mol, XLogP of 5.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;bis(1H-indazole);trichlororuthenium is sourced from PubChem (CID 140944860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).